(3S)-1-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3S)-1-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[(5-bromo-2-hydroxy-phenyl)methyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[(5-bromo-2-hydroxyphenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[(5-bromo-2-hydroxyphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-(5-bromo-2-hydroxy-benzyl)piperidin-1-ium-3-ol Formula: C12H17BrNO2+ MolecularWeight: 287.17288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(C=CC(=C2)Br)O)O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(C=CC(=C2)Br)O)O

InChI

InChI=1S/C12H16BrNO2/c13-10-3-4-12(16)9(6-10)7-14-5-1-2-11(15)8-14/h3-4,6,11,15-16H,1-2,5,7-8H2/p+1/t11-/m0/s1